1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide

C18H22N4OS — CID 121118538

IUPAC1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C18H22N4OS/c1-13-9-10-17(21-20-13)22-11-5-6-14(12-22)18(23)19-15-7-3-4-8-16(15)24-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3,(H,19,23)
InChIKeyUJOBPPJSKKEKIU-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.36
Rot. Bonds4

About 1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide

1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide (PubChem CID 121118538) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
PubChem CID121118538
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C18H22N4OS/c1-13-9-10-17(21-20-13)22-11-5-6-14(12-22)18(23)19-15-7-3-4-8-16(15)24-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3,(H,19,23)
InChIKeyUJOBPPJSKKEKIU-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide (CID 121118538) is 1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide is CSc1ccccc1NC(=O)C1CCCN(c2ccc(C)nn2)C1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide?
The InChIKey is UJOBPPJSKKEKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-9-10-17(21-20-13)22-11-5-6-14(12-22)18(23)19-15-7-3-4-8-16(15)24-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3,(H,19,23).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide?
1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 121118538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).